CID 51522

Brn 5587896

Structural Information

Molecular Formula
C16H23N5S
SMILES
CC(C)CC(C)(C)N=C(NC1=CC=NC=C1)NC2=NC=CS2
InChI
InChI=1S/C16H23N5S/c1-12(2)11-16(3,4)21-14(20-15-18-9-10-22-15)19-13-5-7-17-8-6-13/h5-10,12H,11H2,1-4H3,(H2,17,18,19,20,21)
InChIKey
AMEFRKXPUQIGOF-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylpentan-2-yl)-1-pyridin-4-yl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.16742 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17470 176.1
[M+Na]+ 340.15664 180.4
[M-H]- 316.16014 181.3
[M+NH4]+ 335.20124 189.8
[M+K]+ 356.13058 176.8
[M+H-H2O]+ 300.16468 166.7
[M+HCOO]- 362.16562 194.1
[M+CH3COO]- 376.18127 213.4
[M+Na-2H]- 338.14209 178.7
[M]+ 317.16687 177.1
[M]- 317.16797 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.